Pentafluorobenzoic acid, isopropyl ester
TL;DR: Pentafluorobenzoic acid, isopropyl ester (CAS 41657-67-4) is a chemical compound with molecular formula C10H7F5O2 and molecular weight 254.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2,3,4,5,6-pentafluorobenzoate
Also Known As: isopropyl pentafluorobenzoate, Methylethyl pentafluorobenzoate, Pentafluorobenzoic acid, isopropyl ester, propan-2-yl 2,3,4,5,6-pentafluorobenzoate, Isopropyl 2,3,4,5,6-pentafluorobenzoate
| Molecular Formula | C10H7F5O2 |
|---|---|
| Molecular Weight | 254.04 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.03662 |
| Heavy Atoms | 17 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 41657-67-4 |
|---|---|
| SMILES | CC(C)OC(=O)C1=C(C(=C(C(=C1F)F)F)F)F |
| InChIKey | CHCGOIDAVLLILM-UHFFFAOYSA-N |
Product Overview
Pentafluorobenzoic acid, isopropyl ester (CAS 41657-67-4), with molecular formula C10H7F5O2 and molecular weight 254.04 g/mol. IUPAC: propan-2-yl 2,3,4,5,6-pentafluorobenzoate.
Chemical Property Profile of Pentafluorobenzoic acid, isopropyl ester
Property Insights of Pentafluorobenzoic acid, isopropyl ester
The XLogP value of 3.1 indicates that Pentafluorobenzoic acid, isopropyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Pentafluorobenzoic acid, isopropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentafluorobenzoic acid, isopropyl ester has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pentafluorobenzoic acid, isopropyl ester?
The CAS number of Pentafluorobenzoic acid, isopropyl ester is 41657-67-4.
What is the molecular formula of Pentafluorobenzoic acid, isopropyl ester?
The molecular formula of Pentafluorobenzoic acid, isopropyl ester is C10H7F5O2.
What is the molecular weight of Pentafluorobenzoic acid, isopropyl ester?
The molecular weight of Pentafluorobenzoic acid, isopropyl ester is 254.04 g/mol.
Where can I buy Pentafluorobenzoic acid, isopropyl ester?
You can request a quote for Pentafluorobenzoic acid, isopropyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentafluorobenzoic acid, isopropyl ester?
Yes, KEHONG BIO provides custom synthesis services for Pentafluorobenzoic acid, isopropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.